RefChem:401658
TL;DR: RefChem:401658 (CAS 617697-05-9) is a chemical compound with molecular formula C17H15BrN2O2S2 and molecular weight 421.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(5-bromo-2-oxo-1-propylindol-3-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: IFLab1_005766, IDI1_011169, 3-Allyl-5-(5-bromo-2-oxo-1-propylindolin-3-ylidene)-2-thioxothiazolidin-4-one, (3Z)-3-(3-allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-5-bromo-1-propyl-1,3-dihydro-2H-indol-2-one, (3Z)-5-bromo-3-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]-1-propyl-1,3-dihydro-2H-indol-2-one
| Molecular Formula | C17H15BrN2O2S2 |
|---|---|
| Molecular Weight | 421.98 g/mol |
| LogP | 3.9631 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.97583 |
| Heavy Atoms | 24 |
| Complexity | 803.78033 |
Chemical Identifiers
| CAS Number | 617697-05-9 |
|---|---|
| SMILES | CCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CC=C)/C1=O |
Product Overview
RefChem:401658 (CAS 617697-05-9), with molecular formula C17H15BrN2O2S2 and molecular weight 421.98 g/mol. IUPAC: (5Z)-5-(5-bromo-2-oxo-1-propylindol-3-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:401658
Property Insights of RefChem:401658
The XLogP value of 3.9631 indicates that RefChem:401658 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, RefChem:401658 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:401658 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:401658?
The CAS number of RefChem:401658 is 617697-05-9.
What is the molecular formula of RefChem:401658?
The molecular formula of RefChem:401658 is C17H15BrN2O2S2.
What is the molecular weight of RefChem:401658?
The molecular weight of RefChem:401658 is 421.98 g/mol.
Where can I buy RefChem:401658?
You can request a quote for RefChem:401658 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:401658?
Yes, KEHONG BIO provides custom synthesis services for RefChem:401658 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.